Materials Data on Tb4F15 by Materials Project

Abstract

Tb4F15 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Tb+3.75+ sites. In the first Tb+3.75+ site, Tb+3.75+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Tb–F bond lengths are 2.21 Å. In the second Tb+3.75+ site, Tb+3.75+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.25–2.35 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Tb+3.75+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tb+3.75+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Tb+3.75+ atoms.